cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate

C17H28O3Si — CID 10638571

IUPACcis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC/C=C/C=C\C[C@]1(C(=O)OC)C[C@]1(/C=C/C)O[Si](C)(C)C
InChIInChI=1S/C17H28O3Si/c1-7-9-10-11-13-16(15(18)19-3)14-17(16,12-8-2)20-21(4,5)6/h7-12H,13-14H2,1-6H3/b9-7+,11-10-,12-8+/t16-,17+/m1/s1
InChIKeyOHKCMUGDHZIAAY-JPAKHAEWSA-N
MW308.49 g/mol
LogP4.24
Rot. Bonds7

About cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate

cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 10638571) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID10638571
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Namecis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESC/C=C/C=C\C[C@]1(C(=O)OC)C[C@]1(/C=C/C)O[Si](C)(C)C
InChIInChI=1S/C17H28O3Si/c1-7-9-10-11-13-16(15(18)19-3)14-17(16,12-8-2)20-21(4,5)6/h7-12H,13-14H2,1-6H3/b9-7+,11-10-,12-8+/t16-,17+/m1/s1
InChIKeyOHKCMUGDHZIAAY-JPAKHAEWSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,3,4,5,6-pentafluorophenyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 102102676
methyl 3-[(E)-prop-1-enyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 163374181
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
CID 141020138
methyl (1R,2S,3S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-2-(3-methylbut-3-enyl)-1-prop-2-enyl-2-trimethylsilyloxycyclopentane-1-carboxylate
CID 53306669
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
dimethyl 2-[(2Z,4E)-hexa-2,4-dienyl]-2-methoxypropanedioate
CID 10886641
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
hexa-2,4-dienyl (E)-but-2-enoate
CID 139967113
hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
1-O-[(2E,4E)-hexa-2,4-dienyl] 4-O-[(E)-4-methoxy-4-oxobut-2-enyl] butanedioate
CID 15247866

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 10638571) is cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate is C/C=C/C=C\C[C@]1(C(=O)OC)C[C@]1(/C=C/C)O[Si](C)(C)C.
What is the InChIKey of cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is OHKCMUGDHZIAAY-JPAKHAEWSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-7-9-10-11-13-16(15(18)19-3)14-17(16,12-8-2)20-21(4,5)6/h7-12H,13-14H2,1-6H3/b9-7+,11-10-,12-8+/t16-,17+/m1/s1.
What are the key properties of cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate?
cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 308.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-1-[(2Z,4E)-hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 10638571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).